2-(prop-1-en-2-ylamino)acetic acid

C5H9NO2 — CID 25219537

IUPAC2-(prop-1-en-2-ylamino)acetic acid
SMILESC=C(C)NCC(=O)O
InChIInChI=1S/C5H9NO2/c1-4(2)6-3-5(7)8/h6H,1,3H2,2H3,(H,7,8)
InChIKeyBZQJDQJGEICFFG-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.19
Rot. Bonds3

About 2-(prop-1-en-2-ylamino)acetic acid

2-(prop-1-en-2-ylamino)acetic acid (PubChem CID 25219537) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-(prop-1-en-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(prop-1-en-2-ylamino)acetic acid
PubChem CID25219537
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-(prop-1-en-2-ylamino)acetic acid
SMILESC=C(C)NCC(=O)O
InChIInChI=1S/C5H9NO2/c1-4(2)6-3-5(7)8/h6H,1,3H2,2H3,(H,7,8)
InChIKeyBZQJDQJGEICFFG-UHFFFAOYSA-N
XLogP0.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-en-2-ylamino)acetic acid?
The IUPAC name of 2-(prop-1-en-2-ylamino)acetic acid (CID 25219537) is 2-(prop-1-en-2-ylamino)acetic acid.
What is the SMILES notation for 2-(prop-1-en-2-ylamino)acetic acid?
The canonical SMILES for 2-(prop-1-en-2-ylamino)acetic acid is C=C(C)NCC(=O)O.
What is the InChIKey of 2-(prop-1-en-2-ylamino)acetic acid?
The InChIKey is BZQJDQJGEICFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(2)6-3-5(7)8/h6H,1,3H2,2H3,(H,7,8).
What are the key properties of 2-(prop-1-en-2-ylamino)acetic acid?
2-(prop-1-en-2-ylamino)acetic acid has a molecular weight of 115.13 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-en-2-ylamino)acetic acid is sourced from PubChem (CID 25219537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).